Skip to main content
Free research Free research Free compound profiler with research home and workspace preview
Quick search ChEMBL 36

Compound Profiler

Assess drug-likeness with Lipinski Ro5, QED score, PAINS structural alerts, and a 6-axis bioavailability radar. Supports single and batch analysis up to 100 compounds.

Example: CC(=O)Oc1ccccc1C(=O)O (Aspirin)
Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.
Research home Demo workspace
BAD Poor

Calculated Properties

MW (g/mol)
585.48
LogP
4.16
TPSA (Ų)
128.22
H-Donors
2
H-Acceptors
8
QED
0.237
Rotatable
12
Fraction Csp3
0.2
Arom. Rings
4
RO5 Violations
1
ESOL Log S
-8.26

Structural Alerts 🟢

No PAINS (Pan Assay Interference Compounds) alerts detected. This structure is safe.
Batch Analysis (up to 100 compounds)
Click to expand

Calculate properties and assess drug-likeness for multiple SMILES at once.

Search ChEMBL activity data for this compound →